2-(2-hydroxyethylamino)butanedioic acid

C6H11NO5 — CID 18425072

IUPAC2-(2-hydroxyethylamino)butanedioic acid
SMILESO=C(O)CC(NCCO)C(=O)O
InChIInChI=1S/C6H11NO5/c8-2-1-7-4(6(11)12)3-5(9)10/h4,7-8H,1-3H2,(H,9,10)(H,11,12)
InChIKeyNWVHTDWHXVPUEF-UHFFFAOYSA-N
MW177.16 g/mol
LogP-1.50
Rot. Bonds6

About 2-(2-hydroxyethylamino)butanedioic acid

2-(2-hydroxyethylamino)butanedioic acid (PubChem CID 18425072) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)butanedioic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)butanedioic acid
PubChem CID18425072
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name2-(2-hydroxyethylamino)butanedioic acid
SMILESO=C(O)CC(NCCO)C(=O)O
InChIInChI=1S/C6H11NO5/c8-2-1-7-4(6(11)12)3-5(9)10/h4,7-8H,1-3H2,(H,9,10)(H,11,12)
InChIKeyNWVHTDWHXVPUEF-UHFFFAOYSA-N
XLogP-1.50
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-Acetyl-L-Aspartic Acid
CID 65065
Nmda
CID 22880
N-Methylaspartic acid
CID 4376
N-acetyl-DL-aspartic acid
CID 97508
Ser-Asp
CID 7016057
N-formyl-L-aspartic acid
CID 88052
2,3-Dicarboxyaziridine
CID 3080847
Aspartic acid, N-(1,2-dicarboxyethyl)-, ammonium salt (1:3)
CID 44147333
N-Methyl-L-aspartic acid
CID 92982
Aziridine-2,3-dicarboxylic acid
CID 22712963
Aspartic acid, N-ethyl-, DL-
CID 21715
L-Aspartic acid, N,N'-1,2-ethanediylbis-, compd. with 2-aminoethanol (1:?)
CID 91977589

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)butanedioic acid?
The IUPAC name of 2-(2-hydroxyethylamino)butanedioic acid (CID 18425072) is 2-(2-hydroxyethylamino)butanedioic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)butanedioic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)butanedioic acid is O=C(O)CC(NCCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethylamino)butanedioic acid?
The InChIKey is NWVHTDWHXVPUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-2-1-7-4(6(11)12)3-5(9)10/h4,7-8H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-(2-hydroxyethylamino)butanedioic acid?
2-(2-hydroxyethylamino)butanedioic acid has a molecular weight of 177.16 g/mol, XLogP of -1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)butanedioic acid is sourced from PubChem (CID 18425072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).